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apply_rotation timer - #4706

Merged
mdewing merged 4 commits into
QMCPACK:developfrom
camelto2:RotatedSPOs_timers
Aug 23, 2023
Merged

apply_rotation timer#4706
mdewing merged 4 commits into
QMCPACK:developfrom
camelto2:RotatedSPOs_timers

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@camelto2

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Please review the developer documentation
on the wiki of this project that contains help and requirements.

Proposed changes

adding a timer to the Phi->apply_rotation calls. Useful as we are testing some of the performance of orbital optimization

What type(s) of changes does this code introduce?

Delete the items that do not apply

  • New feature

Does this introduce a breaking change?

  • No

What systems has this change been tested on?

macOS

Checklist

Update the following with a yes where the items apply. If you're unsure about any of them, don't hesitate to ask. This is
simply a reminder of what we are going to look for before merging your code.

  • Yes. This PR is up to date with current the current state of 'develop'
  • Yes. Code added or changed in the PR has been clang-formatted
  • No. This PR adds tests to cover any new code, or to catch a bug that is being fixed
  • No. Documentation has been added (if appropriate)

@camelto2
camelto2 requested review from amandadumi and jptowns August 21, 2023 22:42
@camelto2

camelto2 commented Aug 21, 2023

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@amandadumi and @jptowns, it looks like Josh merged some useful optimization timers in #4240. This is another timer which will explicitly time the underlying SPOSet implementation of applyRotation. Do you want any additional timers? Let me know and I'll add them here

@mdewing

mdewing commented Aug 22, 2023

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Test this please

@camelto2
camelto2 removed the request for review from jptowns August 23, 2023 17:16
@mdewing
mdewing merged commit e875bbd into QMCPACK:develop Aug 23, 2023
@camelto2
camelto2 deleted the RotatedSPOs_timers branch August 23, 2023 21:57
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3 participants